6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C27H30FN3O3 — CID 67267703

IUPAC6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCc1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccc1OC
InChIInChI=1S/C27H30FN3O3/c1-33-18-22-14-19(6-9-26(22)34-2)17-31-12-10-24(11-13-31)30-27(32)21-7-8-25(29-16-21)20-4-3-5-23(28)15-20/h3-9,14-16,24H,10-13,17-18H2,1-2H3,(H,30,32)
InChIKeyJDPWPMNXGKZDHJ-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.44
Rot. Bonds8

About 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267703) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267703
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC Name6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCc1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccc1OC
InChIInChI=1S/C27H30FN3O3/c1-33-18-22-14-19(6-9-26(22)34-2)17-31-12-10-24(11-13-31)30-27(32)21-7-8-25(29-16-21)20-4-3-5-23(28)15-20/h3-9,14-16,24H,10-13,17-18H2,1-2H3,(H,30,32)
InChIKeyJDPWPMNXGKZDHJ-UHFFFAOYSA-N
XLogP4.44
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67267703) is 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is COCc1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccc1OC.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JDPWPMNXGKZDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3/c1-33-18-22-14-19(6-9-26(22)34-2)17-31-12-10-24(11-13-31)30-27(32)21-7-8-25(29-16-21)20-4-3-5-23(28)15-20/h3-9,14-16,24H,10-13,17-18H2,1-2H3,(H,30,32).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).